# generated using pymatgen
data_CaPa(ReN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37999798
_cell_length_b   5.60642587
_cell_length_c   7.83585890
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPa(ReN3)2
_chemical_formula_sum   'Ca2 Pa2 Re4 N12'
_cell_volume   236.34956356
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.50582566  0.54799514  0.75000000  1.0
  Ca  Ca1  1  0.99417434  0.04799514  0.75000000  1.0
  Pa  Pa2  1  0.48000569  0.43498742  0.25000000  1.0
  Pa  Pa3  1  0.01999431  0.93498742  0.25000000  1.0
  Re  Re4  1  0.51368006  0.00298528  0.51313642  1.0
  Re  Re5  1  0.98631994  0.50298528  0.98686358  1.0
  Re  Re6  1  0.98631994  0.50298528  0.51313642  1.0
  Re  Re7  1  0.51368006  0.00298528  0.98686358  1.0
  N  N8  1  0.70667458  0.29002410  0.53654286  1.0
  N  N9  1  0.30077324  0.69791408  0.06112094  1.0
  N  N10  1  0.19922676  0.19791408  0.06112094  1.0
  N  N11  1  0.43849328  0.99417901  0.75000000  1.0
  N  N12  1  0.88989591  0.54099152  0.25000000  1.0
  N  N13  1  0.30077324  0.69791408  0.43887906  1.0
  N  N14  1  0.79332542  0.79002410  0.96345714  1.0
  N  N15  1  0.70667458  0.29002410  0.96345714  1.0
  N  N16  1  0.79332542  0.79002410  0.53654286  1.0
  N  N17  1  0.06150672  0.49417901  0.75000000  1.0
  N  N18  1  0.19922676  0.19791408  0.43887906  1.0
  N  N19  1  0.61010409  0.04099152  0.25000000  1.0